[[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid

C4H11N2O7PS — CID 142100359

IUPAC[[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid
SMILESCS(=O)(=O)N(CC(=O)NO)CP(=O)(O)O
InChIInChI=1S/C4H11N2O7PS/c1-15(12,13)6(2-4(7)5-8)3-14(9,10)11/h8H,2-3H2,1H3,(H,5,7)(H2,9,10,11)
InChIKeyKPJGOFROVAMYJE-UHFFFAOYSA-N
MW262.18 g/mol
LogP-2.11
Rot. Bonds5

About [[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid

[[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid (PubChem CID 142100359) has the molecular formula C4H11N2O7PS and a molecular weight of 262.18 g/mol. Its IUPAC name is [[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid.

Molecular Properties

Compound Name[[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid
PubChem CID142100359
Molecular FormulaC4H11N2O7PS
Molecular Weight262.18 g/mol
Exact Mass262.00
IUPAC Name[[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid
SMILESCS(=O)(=O)N(CC(=O)NO)CP(=O)(O)O
InChIInChI=1S/C4H11N2O7PS/c1-15(12,13)6(2-4(7)5-8)3-14(9,10)11/h8H,2-3H2,1H3,(H,5,7)(H2,9,10,11)
InChIKeyKPJGOFROVAMYJE-UHFFFAOYSA-N
XLogP-2.11
TPSA144.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid?
The IUPAC name of [[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid (CID 142100359) is [[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid.
What is the SMILES notation for [[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid?
The canonical SMILES for [[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid is CS(=O)(=O)N(CC(=O)NO)CP(=O)(O)O.
What is the InChIKey of [[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid?
The InChIKey is KPJGOFROVAMYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N2O7PS/c1-15(12,13)6(2-4(7)5-8)3-14(9,10)11/h8H,2-3H2,1H3,(H,5,7)(H2,9,10,11).
What are the key properties of [[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid?
[[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid has a molecular weight of 262.18 g/mol, XLogP of -2.11, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(hydroxyamino)-2-oxoethyl]-methylsulfonylamino]methylphosphonic acid is sourced from PubChem (CID 142100359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).